SCHEMBL6103201

SCHEMBL6103201

CC1(C)OC(=O)c2ccc(C3OCCO3)cc21

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.35
TGFBR1 P36897 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HTT P42858 1/20 0.32
MAP4K1 Q92918 1/20 0.31
BUB1 O43683 1/20 0.31
MAPK1 P28482 1/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CTSK P43235 1/20 0.30
CTSC P53634 1/20 0.30
NPC1 O15118 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8564703 0.74 PGR (0.34) RAB9AMEN1KMT2ABUB1NPSR1
SCHEMBL9089041 0.72 NPSR1 (0.46) RAB9AMEN1KMT2ALMNANPSR1
SCHEMBL21013530 0.72 POLB (0.46) RAB9AMEN1KMT2AHTTMAPK1
SCHEMBL29606664 0.72 POLB (0.46) RAB9AMEN1KMT2AHTTMAPK1
SCHEMBL6102590 0.71 ALDH1A1 (0.38) RAB9AMEN1KMT2ALMNANPSR1
SCHEMBL21084746 0.71 RAB9A (0.35) RAB9AMEN1KMT2A
SCHEMBL14273273 0.70 TDP2 (0.39) MEN1KMT2AMAP4K1LMNANPSR1
Hydrochloric Acid SCHEMBL30504137 0.70 POLB (0.45) RAB9AMEN1KMT2AHTTMAPK1
SCHEMBL6105143 0.70 MAPT (0.50) MEN1KMT2AHTTLMNANPSR1
SCHEMBL16064982 0.70 OPRM1 (0.46) MEN1KMT2ALMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060004084-A1 (3Z)-3-(2,3-dihydro-1H-inden-1-ylidene)-1,3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2006-01-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060004084-A1 (3Z)-3-(2,3-dihydro-1H-inden-1-ylidene)-1,3-dihydro-2H-indol-2-ones as kinase inhibitors CDK2, ERBB2, MAP3K3 RAB9A 2518/4885TGFBR1 1997/4885MEN1 3222/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.